[
  {
    "molid": "mol14985",
    "smiles": "OC[C@@H]1O[C@H]([n+]2ccc(NO)nc2O)[C@@H](O)[C@H]1O",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "[O-]c1nc(NO)cc[n+]1[C@H]1O[C@@H](CO)[C@H](O)[C@@H]1O",
        "std_free_energy": -6.524869918823242,
        "relative_population": 0.9997881589623466
      },
      {
        "id": "1_2",
        "charge": 1,
        "smiles": "OC[C@@H]1O[C@H]([n+]2ccc(NO)nc2O)[C@@H](O)[C@H]1O",
        "std_free_energy": 3.827916383743286,
        "relative_population": 0.638476923331061
      },
      {
        "id": "1_3",
        "charge": 1,
        "smiles": "[O-]c1nc([NH2+]O)cc[n+]1[C@H]1O[C@@H](CO)[C@H](O)[C@@H]1O",
        "std_free_energy": 4.432920455932617,
        "relative_population": 0.3486545000406687
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 2.26,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "Datawarrior"
      }
    ]
  }
]